SCHEMBL29065877

SCHEMBL29065877

Cc1ccc(NC(c2ccccc2Br)C2CCCCC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
LMNA P02545 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CA1 P00915 11/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
HTR1E P28566 1/20 0.37
S1PR3 Q99500 1/20 0.37
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29065880 0.90 CA1 (0.69) MAPTLMNANPSR1CA1SMN1; SMN2
SCHEMBL29065885 0.88 MAPT (0.58) MAPTLMNANPSR1CA1SMN1; SMN2
SCHEMBL29065870 0.85 CA1 (0.55) MAPTLMNANPSR1CA1SMN1; SMN2
SCHEMBL29065875 0.83 CA1 (0.82) MAPTLMNANPSR1CA1SMN1; SMN2
SCHEMBL29065862 0.82 CA1 (0.83) MAPTLMNANPSR1CA1SMN1; SMN2
SCHEMBL29065882 0.82 LMNA (0.42) MAPTLMNANPSR1CA1SMN1; SMN2
SCHEMBL29065873 0.81 MAPT (0.77) MAPTLMNANPSR1CA1SMN1; SMN2
SCHEMBL28015291 0.80 CA1 (0.82) MAPTLMNANPSR1CA1SMN1; SMN2
SCHEMBL30530203 0.80 MAPT (0.69) MAPTLMNANPSR1CA1SMN1; SMN2
SCHEMBL29065896 0.80 MAPT (0.69) MAPTLMNANPSR1CA1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116715596-B Method for synthesizing beta-aminoketone compound by synergistic catalysis of cyclopentadienyl titanium/Bronsted acid 宁夏师范学院 2025-01-14 CN disclosed
CN-116715596-A Method for synthesizing beta-aminoketone compound by synergistic catalysis of cyclopentadienyl titanium/Bronsted acid 宁夏师范学院 2023-09-08 CN disclosed